Match comparison for Benzene Multipoles [step 20] (match type 23477)
Commits >
Commit 467aee6bb6aa6bf5b31aed5cccd88bd7f10f5124 >
Input 12-tddft-currents-to-maxwell.04-benzene-mxll-td-full-min-coup.inp
General information
| Reference | Precision | Mean | Standard deviation | Midpoint | Half width | Status |
| -2.094606295401846e-02 | 1.000000000000000e-12 | -2.094606295401590e-02 | 7.225255917188449e-15 | -2.094606295401474e-02 | 1.337645272325716e-14 | PASS |
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Detailed information
Reference: -0.02094606295401846, precision: 0.000000000001| Run | Value | Difference | Relative difference | Status |
| foss-2022a_ppc | -2.094606295402650e-02 | -8.038708587676524e-15 | -8.038708587676524e-03 | PASS |
| spack_foss-2022a_serial_opt | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| spack_foss-2022a_serial_min | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| spack_foss-2022a_serial | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| foss-2022a_opt | -2.094606295401159e-02 | 6.866035517916202e-15 | 6.866035517916202e-03 | PASS |
| intel-2022b | -2.094606295402555e-02 | -7.095019016745141e-15 | -7.095019016745141e-03 | PASS |
| intel-2022a | -2.094606295402555e-02 | -7.095019016745141e-15 | -7.095019016745141e-03 | PASS |
| spack_foss-2022a_serial_omp | -2.094606295400137e-02 | 1.709049568532350e-14 | 1.709049568532350e-02 | PASS |
| spack_foss-2022a_serial_debug | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| foss-2022a_omp | -2.094606295401664e-02 | 1.821459649775647e-15 | 1.821459649775647e-03 | PASS |
| spack_foss-2022a_mpi | -2.094606295401674e-02 | 1.720845688168993e-15 | 1.720845688168993e-03 | PASS |
| intel-2022a_omp | -2.094606295402812e-02 | -9.662409761190816e-15 | -9.662409761190816e-03 | PASS |
| intel-2022a_impi | -2.094606295402567e-02 | -7.206041319207657e-15 | -7.206041319207657e-03 | PASS |
| cmake_foss_2022a_full_mpi | -2.094606295401674e-02 | 1.720845688168993e-15 | 1.720845688168993e-03 | PASS |
| spack_foss-2022a_mpi_omp | -2.094606295401326e-02 | 5.200700980978468e-15 | 5.200700980978468e-03 | PASS |
| eb_fosscuda-2022a | -2.094606295401937e-02 | -9.124645483638005e-16 | -9.124645483638005e-04 | PASS |
| cmake_foss_2022a_full_serial | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| cmake_foss_2022a_min_serial | -2.094606295401286e-02 | 5.596217933501180e-15 | 5.596217933501180e-03 | PASS |
| foss-2022a_mpi_omp | -2.094606295401904e-02 | -5.759281940243000e-16 | -5.759281940243000e-04 | PASS |
| cmake_foss_2022a_min_mpi | -2.094606295400349e-02 | 1.497066359767985e-14 | 1.497066359767985e-02 | PASS |
| eb_foss-2022a | -2.094606295401159e-02 | 6.866035517916202e-15 | 6.866035517916202e-03 | PASS |
| eb_foss-2022b_libxc6 | -2.094606295401808e-02 | 3.781697177629439e-16 | 3.781697177629439e-04 | PASS |
| intel-2022a_omp_impi | -2.094606295402716e-02 | -8.704842402451618e-15 | -8.704842402451618e-03 | PASS |
| eb_foss-2022a_debug | -2.094606295401159e-02 | 6.866035517916202e-15 | 6.866035517916202e-03 | PASS |
| eb_foss-2022a_mpi | -2.094606295400927e-02 | 9.187095528773170e-15 | 9.187095528773170e-03 | PASS |
| eb_foss-2022b_libxc6_mpi | -2.094606295400386e-02 | 1.460290222077276e-14 | 1.460290222077276e-02 | PASS |
| eb_foss-2022a_mpi_debug | -2.094606295400927e-02 | 9.187095528773170e-15 | 9.187095528773170e-03 | PASS |
| eb_fosscuda-2022a_mpi_omp | -2.094606295401779e-02 | 6.696032617270475e-16 | 6.696032617270475e-04 | PASS |
| intel-2022b_impi | -2.094606295402567e-02 | -7.206041319207657e-15 | -7.206041319207657e-03 | PASS |